#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ozb n ALA 4 N 0.00 1.89 0.00 -1.84 0.00 -1.26 -5.13 120.51 114.17 2ozb n ALA 4 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2ozb n ALA 4 Cb 0.00 0.21 0.00 0.00 0.00 0.00 0.00 19.45 19.66 2ozb n ALA 4 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2ozb n ASP 5 N -1.81 0.00 -3.78 0.00 3.85 -1.26 -4.97 116.55 108.59 2ozb n ASP 5 Ca 0.00 0.00 -0.13 0.00 -0.71 0.00 0.00 54.79 53.95 2ozb n ASP 5 Cb 0.23 0.00 -0.10 0.00 -1.35 0.00 0.00 41.12 39.89 2ozb n ASP 5 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 2ozb s VAL 6 N 0.00 0.02 0.01 2.12 1.01 -1.26 -5.10 120.40 117.20 2ozb s VAL 6 Ca 0.00 -0.18 -0.33 0.00 0.00 0.00 0.00 61.98 61.47 2ozb s VAL 6 Cb 0.00 -0.46 -0.12 0.00 0.00 0.00 0.00 36.38 35.80 2ozb s VAL 6 CO 0.00 -0.10 1.80 -3.20 0.00 0.00 0.00 175.10 173.60 2ozb n ASN 7 N 2.40 3.47 0.26 3.32 2.85 -1.26 -4.83 115.26 121.47 2ozb n ASN 7 Ca -0.16 1.00 0.18 0.00 -0.11 0.00 0.00 54.58 55.49 2ozb n ASN 7 Cb 0.57 -1.42 0.88 0.00 1.24 0.00 0.00 39.78 41.06 2ozb n ASN 7 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2ozb h PRO 8 N 8.34 0.00 0.00 1.20 0.11 -1.99 -2.13 132.00 137.53 2ozb h PRO 8 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2ozb h PRO 8 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2ozb h PRO 8 CO 0.93 0.00 -0.19 1.17 -0.21 0.00 0.00 178.00 179.71 2ozb n LYS 9 N -2.80 0.05 -1.68 1.05 4.81 -1.26 -4.21 118.16 114.12 2ozb n LYS 9 Ca -0.01 0.03 -0.42 0.00 -0.87 0.00 0.00 58.31 57.04 2ozb n LYS 9 Cb 0.13 -1.55 -0.00 0.00 0.02 0.00 0.00 35.03 33.63 2ozb n LYS 9 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2ozb n ALA 10 N -1.56 5.82 -2.78 3.14 0.00 -0.80 -4.91 120.51 119.42 2ozb n ALA 10 Ca 0.06 -3.84 -0.33 0.00 0.00 0.00 0.00 53.44 49.34 2ozb n ALA 10 Cb 0.36 -3.51 -0.14 0.00 0.00 0.00 0.00 19.45 16.15 2ozb n ALA 10 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2ozb s TYR 11 N 3.02 2.71 0.34 0.00 5.04 -1.26 -3.63 117.35 123.57 2ozb s TYR 11 Ca 0.50 -0.46 -0.14 0.00 -2.44 0.00 0.00 57.07 54.53 2ozb s TYR 11 Cb 0.14 -1.71 -0.08 0.00 0.35 0.00 0.00 41.96 40.66 2ozb s TYR 11 CO -0.08 -0.05 0.74 -1.25 -1.34 0.00 0.00 175.55 173.56 2ozb s PRO 12 N -0.18 3.95 -0.16 4.97 0.04 -1.26 -4.87 135.00 137.49 2ozb s PRO 12 Ca -0.01 0.62 -0.04 0.00 0.04 0.00 0.00 61.00 61.61 2ozb s PRO 12 Cb -0.13 -2.43 -0.03 0.00 0.04 0.00 0.00 34.50 31.95 2ozb s PRO 12 CO 0.03 0.12 -0.02 -1.17 0.04 0.00 0.00 177.00 176.00 2ozb s LEU 13 N -3.15 3.33 0.33 -3.56 2.96 -1.24 -0.88 118.68 116.47 2ozb s LEU 13 Ca 0.53 -0.10 -0.27 0.00 -0.22 0.00 0.00 54.13 54.07 2ozb s LEU 13 Cb -0.10 -1.81 -0.09 0.00 0.50 0.00 0.00 46.19 44.68 2ozb s LEU 13 CO 0.20 0.16 1.03 0.00 -1.32 0.00 0.00 176.35 176.43 2ozb s ALA 14 N 0.39 3.24 1.10 5.97 0.00 -0.72 -4.96 121.76 126.78 2ozb s ALA 14 Ca -0.03 0.72 -0.18 0.00 0.00 0.00 0.00 51.96 52.47 2ozb s ALA 14 Cb -0.14 -3.27 0.26 0.00 0.00 0.00 0.00 23.12 19.97 2ozb s ALA 14 CO 0.03 -0.08 1.23 -0.40 0.00 0.00 0.00 175.76 176.53 2ozb n ASP 15 N 0.61 -0.78 -0.22 0.00 3.85 -1.26 -4.73 116.55 114.02 2ozb n ASP 15 Ca 0.02 -1.35 -0.04 0.00 -0.71 0.00 0.00 54.79 52.71 2ozb n ASP 15 Cb 0.48 -1.00 0.06 0.00 -1.35 0.00 0.00 41.12 39.31 2ozb n ASP 15 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2ozb h ALA 16 N -2.17 0.83 -0.45 2.12 0.00 -1.99 -0.04 119.26 117.55 2ozb h ALA 16 Ca -0.42 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.33 2ozb h ALA 16 Cb 1.20 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 2ozb h ALA 16 CO 0.29 0.14 -0.26 0.45 0.00 0.00 0.00 179.25 179.87 2ozb h HIS 17 N 0.77 1.12 -0.21 0.00 3.86 -2.00 -2.25 115.15 116.45 2ozb h HIS 17 Ca 0.26 -0.29 -0.16 0.00 -1.16 0.00 0.00 60.37 59.01 2ozb h HIS 17 Cb 0.02 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 28.24 2ozb h HIS 17 CO -0.05 1.12 -0.48 1.25 0.86 0.00 0.00 177.93 180.62 2ozb h LEU 18 N 0.81 0.79 -0.57 2.43 5.85 -1.88 -2.75 115.31 119.98 2ozb h LEU 18 Ca 0.09 -0.56 0.11 0.00 0.84 0.00 0.00 57.88 58.36 2ozb h LEU 18 Cb 0.85 -0.23 -0.08 0.00 0.37 0.00 0.00 40.66 41.57 2ozb h LEU 18 CO 0.07 1.21 0.11 0.74 -0.34 0.00 0.00 178.44 180.23 2ozb h THR 19 N 0.40 0.65 -0.50 1.05 2.02 -0.98 0.21 112.91 115.75 2ozb h THR 19 Ca -0.00 -0.08 0.02 0.00 0.77 0.00 0.00 66.41 67.12 2ozb h THR 19 Cb 1.10 0.39 -0.03 0.00 -1.74 0.00 0.00 68.15 67.86 2ozb h THR 19 CO 0.11 0.04 0.30 0.50 0.37 0.00 0.00 175.52 176.84 2ozb h LYS 20 N 0.24 0.59 0.16 6.66 3.64 -1.34 -0.52 116.57 126.00 2ozb h LYS 20 Ca 0.30 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.64 2ozb h LYS 20 Cb 0.44 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.12 2ozb h LYS 20 CO -0.39 0.39 -0.10 0.87 -2.27 0.00 0.00 179.45 177.94 2ozb h LYS 21 N 0.61 -0.25 -0.27 1.90 1.57 -1.03 -1.85 116.57 117.24 2ozb h LYS 21 Ca 0.20 0.02 0.06 0.00 -1.87 0.00 0.00 60.65 59.06 2ozb h LYS 21 Cb 0.01 0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.32 2ozb h LYS 21 CO -0.09 -0.17 -0.11 -0.07 -0.57 0.00 0.00 179.45 178.45 2ozb h LEU 22 N -0.26 -0.37 -0.97 2.94 -0.00 -0.26 -0.33 115.31 116.06 2ozb h LEU 22 Ca -0.01 0.10 -0.07 0.00 -0.00 0.00 0.00 57.88 57.89 2ozb h LEU 22 Cb 0.22 0.21 -0.02 0.00 -0.00 0.00 0.00 40.66 41.08 2ozb h LEU 22 CO 0.01 -0.14 -0.05 -0.07 -0.00 0.00 0.00 178.44 178.20 2ozb h LEU 23 N -0.06 0.67 -0.55 1.67 3.38 -1.07 0.24 115.31 119.59 2ozb h LEU 23 Ca 0.14 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2ozb h LEU 23 Cb 0.27 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 2ozb h LEU 23 CO -0.31 0.77 0.34 0.44 0.09 0.00 0.00 178.44 179.77 2ozb h ASP 24 N 0.64 0.64 0.31 -0.43 3.45 -0.59 0.02 116.42 120.47 2ozb h ASP 24 Ca 0.12 -0.04 -0.21 0.00 0.43 0.00 0.00 57.03 57.34 2ozb h ASP 24 Cb 0.47 -0.16 -0.00 0.00 -0.56 0.00 0.00 39.33 39.08 2ozb h ASP 24 CO 0.02 0.49 -0.84 0.25 -1.57 0.00 0.00 179.24 177.59 2ozb h LEU 25 N 0.74 0.50 -1.09 1.55 5.85 -0.28 -1.72 115.31 120.85 2ozb h LEU 25 Ca 0.20 -0.37 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 2ozb h LEU 25 Cb -0.04 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.80 2ozb h LEU 25 CO -0.04 1.14 0.45 0.58 -0.34 0.00 0.00 178.44 180.23 2ozb h VAL 26 N 0.25 1.22 -0.41 1.05 2.07 -0.40 0.15 116.25 120.19 2ozb h VAL 26 Ca -0.06 -0.53 -0.03 0.00 0.82 0.00 0.00 66.70 66.90 2ozb h VAL 26 Cb 1.45 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 2ozb h VAL 26 CO 0.14 0.24 0.13 -0.61 0.02 0.00 0.00 177.57 177.50 2ozb h GLN 27 N 1.09 0.63 -0.32 1.57 4.15 -0.58 -2.42 115.11 119.23 2ozb h GLN 27 Ca 0.28 -0.13 -0.00 0.00 0.77 0.00 0.00 58.65 59.56 2ozb h GLN 27 Cb -0.01 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.58 2ozb h GLN 27 CO -0.05 0.63 0.20 1.96 -1.93 0.00 0.00 178.83 179.64 2ozb h GLN 28 N 0.51 0.43 -0.88 1.69 1.08 -0.88 -1.92 115.11 115.15 2ozb h GLN 28 Ca 0.13 -0.04 0.15 0.00 -1.45 0.00 0.00 58.65 57.45 2ozb h GLN 28 Cb 0.26 -0.09 -0.07 0.00 -0.05 0.00 0.00 27.48 27.53 2ozb h GLN 28 CO -0.00 0.32 0.57 0.77 -0.95 0.00 0.00 178.83 179.54 2ozb h SER 29 N 0.42 0.60 0.26 1.46 0.02 -0.60 0.20 113.55 115.89 2ozb h SER 29 Ca 0.12 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 2ozb h SER 29 Cb -0.01 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.46 2ozb h SER 29 CO -0.02 0.29 -0.12 0.00 -1.14 0.00 0.00 176.83 175.84 2ozb h ASN 31 N -0.68 0.43 -0.52 0.00 -0.26 -0.34 -2.03 115.58 112.18 2ozb h ASN 31 Ca -0.04 0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.73 2ozb h ASN 31 Cb 0.47 -0.06 0.00 0.00 -1.06 0.00 0.00 38.32 37.67 2ozb h ASN 31 CO 0.06 0.22 0.00 -1.22 -1.06 0.00 0.00 177.43 175.43 2ozb n TYR 32 N -4.49 1.37 -3.02 1.19 4.02 0.53 -4.95 117.16 111.82 2ozb n TYR 32 Ca 0.15 -0.52 -0.23 0.00 -0.01 0.00 0.00 57.90 57.29 2ozb n TYR 32 Cb 0.52 -0.28 0.03 0.00 -0.02 0.00 0.00 39.34 39.60 2ozb n TYR 32 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 2ozb n LYS 33 N 0.79 -4.83 -0.99 -0.72 4.76 -0.76 -4.91 118.16 111.49 2ozb n LYS 33 Ca 0.22 0.91 -0.03 0.00 -2.87 0.00 0.00 58.31 56.54 2ozb n LYS 33 Cb 0.83 -5.77 0.16 0.00 -1.84 0.00 0.00 35.03 28.42 2ozb n LYS 33 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 2ozb n GLN 34 N -4.02 2.14 -4.50 1.97 6.02 0.14 -5.01 117.38 114.12 2ozb n GLN 34 Ca -0.11 -3.53 -0.23 0.00 -0.01 0.00 0.00 57.00 53.12 2ozb n GLN 34 Cb 0.62 -1.81 -0.16 0.00 1.02 0.00 0.00 30.24 29.91 2ozb n GLN 34 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 2ozb s LEU 35 N -3.34 1.72 -0.16 1.08 2.96 -1.21 -1.09 118.68 118.64 2ozb s LEU 35 Ca 0.42 -0.24 -0.02 0.00 -0.22 0.00 0.00 54.13 54.07 2ozb s LEU 35 Cb 0.38 -0.69 -0.02 0.00 0.50 0.00 0.00 46.19 46.36 2ozb s LEU 35 CO -0.04 0.06 -0.08 -0.13 -1.32 0.00 0.00 176.35 174.84 2ozb s ARG 36 N 0.38 3.49 -0.22 1.98 1.81 0.27 -4.98 118.95 121.69 2ozb s ARG 36 Ca -0.08 -0.61 -0.05 0.00 -1.72 0.00 0.00 55.73 53.28 2ozb s ARG 36 Cb -0.12 -2.81 -0.02 0.00 -0.45 0.00 0.00 34.95 31.55 2ozb s ARG 36 CO 0.02 0.14 -0.02 0.15 -0.68 0.00 0.00 175.30 174.91 2ozb s LYS 37 N 0.59 3.48 0.00 3.54 1.02 -1.26 -0.47 119.74 126.64 2ozb s LYS 37 Ca -0.05 -0.58 0.00 0.00 0.02 0.00 0.00 55.97 55.36 2ozb s LYS 37 Cb -0.15 -3.07 0.00 0.00 -0.52 0.00 0.00 37.83 34.09 2ozb s LYS 37 CO 0.03 -0.13 0.00 0.41 -0.92 0.00 0.00 175.35 174.74 2ozb n GLY 38 N 4.64 3.41 0.27 -3.33 0.00 0.54 -4.66 105.19 106.06 2ozb n GLY 38 Ca -0.18 -1.58 -0.03 0.00 0.00 0.00 0.00 46.02 44.24 2ozb n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ozb h ALA 39 N 0.00 0.92 -0.15 4.61 0.00 -1.93 0.18 119.26 122.88 2ozb h ALA 39 Ca 0.00 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.91 2ozb h ALA 39 Cb 0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2ozb h ALA 39 CO 0.00 0.22 -0.00 -0.91 0.00 0.00 0.00 179.25 178.56 2ozb h ASN 40 N 0.86 -0.06 -0.14 0.00 2.35 -1.92 -0.40 115.58 116.27 2ozb h ASN 40 Ca 0.28 0.03 -0.15 0.00 -0.55 0.00 0.00 56.30 55.92 2ozb h ASN 40 Cb 0.02 0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 2ozb h ASN 40 CO -0.11 -0.01 -0.42 -0.33 -1.65 0.00 0.00 177.43 174.91 2ozb h GLU 41 N 0.05 0.69 -0.53 0.81 5.08 -1.75 -2.31 114.58 116.61 2ozb h GLU 41 Ca 0.07 -0.37 0.10 0.00 -1.00 0.00 0.00 59.36 58.16 2ozb h GLU 41 Cb 0.09 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.27 2ozb h GLU 41 CO -0.12 0.98 0.08 0.00 -1.00 0.00 0.00 179.01 178.95 2ozb h ALA 42 N 0.97 0.58 -0.31 3.43 0.00 -0.50 -0.85 119.26 122.59 2ozb h ALA 42 Ca 0.04 0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.12 2ozb h ALA 42 Cb 0.96 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 2ozb h ALA 42 CO 0.09 -0.33 0.07 1.15 0.00 0.00 0.00 179.25 180.22 2ozb h THR 43 N 0.21 0.86 -0.72 0.00 2.02 -0.72 -0.25 112.91 114.31 2ozb h THR 43 Ca 0.27 -0.06 0.03 0.00 0.77 0.00 0.00 66.41 67.42 2ozb h THR 43 Cb 0.39 0.66 -0.04 0.00 -1.74 0.00 0.00 68.15 67.43 2ozb h THR 43 CO -0.38 0.03 0.47 0.11 0.37 0.00 0.00 175.52 176.13 2ozb h LYS 44 N 0.18 0.86 -0.40 6.66 1.57 -0.80 -1.46 116.57 123.18 2ozb h LYS 44 Ca 0.14 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.79 2ozb h LYS 44 Cb 0.15 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 2ozb h LYS 44 CO -0.18 0.57 -0.08 1.79 -0.57 0.00 0.00 179.45 180.98 2ozb h THR 45 N 0.89 1.27 0.21 -0.16 1.35 0.31 -2.22 112.91 114.57 2ozb h THR 45 Ca 0.28 -1.16 -0.01 0.00 -0.55 0.00 0.00 66.41 64.97 2ozb h THR 45 Cb 0.03 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 67.65 2ozb h THR 45 CO -0.08 0.39 -0.10 -0.07 -0.25 0.00 0.00 175.52 175.41 2ozb h LEU 46 N 0.58 -0.24 -2.02 3.87 3.38 -0.96 0.48 115.31 120.40 2ozb h LEU 46 Ca 0.10 -0.03 0.14 0.00 0.09 0.00 0.00 57.88 58.18 2ozb h LEU 46 Cb 0.60 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 2ozb h LEU 46 CO 0.04 -0.13 0.36 0.78 0.09 0.00 0.00 178.44 179.58 2ozb h ASN 47 N -0.34 0.00 0.13 -0.43 2.35 -1.24 -1.85 115.58 114.19 2ozb h ASN 47 Ca -0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 2ozb h ASN 47 Cb 0.26 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.63 2ozb h ASN 47 CO 0.05 0.00 -0.65 0.54 -1.65 0.00 0.00 177.43 175.72 2ozb n ARG 48 N -4.24 0.46 -2.79 0.81 1.74 -0.84 -4.99 116.66 106.81 2ozb n ARG 48 Ca 0.08 -0.35 -0.12 0.00 -0.77 0.00 0.00 57.85 56.70 2ozb n ARG 48 Cb 0.57 -1.49 0.03 0.00 -1.02 0.00 0.00 32.46 30.54 2ozb n ARG 48 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2ozb n GLY 49 N 1.45 0.11 0.34 -0.13 0.00 0.05 -4.93 105.19 102.08 2ozb n GLY 49 Ca 0.07 -0.28 0.08 0.00 0.00 0.00 0.00 46.02 45.89 2ozb n GLY 49 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2ozb n ILE 50 N -3.86 2.05 -3.88 -0.61 -5.35 -0.55 -4.98 119.36 102.18 2ozb n ILE 50 Ca -0.04 -2.56 -0.36 0.00 -0.27 0.00 0.00 62.75 59.53 2ozb n ILE 50 Cb 0.55 -0.25 -0.08 0.00 -1.74 0.00 0.00 39.64 38.13 2ozb n ILE 50 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 2ozb s SER 51 N -2.90 6.08 -0.04 7.28 0.15 -1.25 -0.84 113.70 122.17 2ozb s SER 51 Ca 0.35 0.27 -0.16 0.00 0.70 0.00 0.00 55.95 57.12 2ozb s SER 51 Cb 0.32 -2.01 -0.31 0.00 -1.71 0.00 0.00 66.02 62.30 2ozb s SER 51 CO 0.00 0.27 0.76 -0.33 1.20 0.00 0.00 173.24 175.14 2ozb h GLU 52 N 6.01 0.38 -1.83 5.44 4.39 -0.53 -3.44 114.58 124.99 2ozb h GLU 52 Ca -0.45 -0.64 0.21 0.00 0.34 0.00 0.00 59.36 58.81 2ozb h GLU 52 Cb 1.18 0.24 -0.16 0.00 -0.10 0.00 0.00 28.75 29.92 2ozb h GLU 52 CO 0.67 1.31 0.67 -0.59 -1.16 0.00 0.00 179.01 179.91 2ozb s PHE 53 N -2.53 -0.19 -0.05 4.33 -0.12 -1.23 -4.42 117.98 113.77 2ozb s PHE 53 Ca -0.15 0.08 0.06 0.00 -0.05 0.00 0.00 56.93 56.87 2ozb s PHE 53 Cb 0.04 0.54 -0.01 0.00 -0.63 0.00 0.00 43.02 42.96 2ozb s PHE 53 CO 0.85 -0.39 -0.24 0.42 -0.05 0.00 0.00 175.22 175.80 2ozb s ILE 54 N -2.75 2.12 -0.10 -4.49 -1.09 -0.42 -2.39 121.20 112.08 2ozb s ILE 54 Ca 0.09 -1.05 0.04 0.00 -2.23 0.00 0.00 60.65 57.50 2ozb s ILE 54 Cb -0.00 -1.76 -0.00 0.00 -1.58 0.00 0.00 42.46 39.11 2ozb s ILE 54 CO -0.05 0.57 -0.24 -0.69 -1.23 0.00 0.00 174.94 173.30 2ozb s VAL 55 N -0.25 2.09 0.30 2.92 1.01 -0.69 -1.42 120.40 124.36 2ozb s VAL 55 Ca -0.01 -1.01 0.08 0.00 0.00 0.00 0.00 61.98 61.04 2ozb s VAL 55 Cb -0.13 -1.79 -0.06 0.00 0.00 0.00 0.00 36.38 34.40 2ozb s VAL 55 CO 0.03 0.56 -0.08 -0.04 0.00 0.00 0.00 175.10 175.57 2ozb s MET 56 N 0.30 1.64 -0.25 2.72 -1.94 0.04 -0.44 119.30 121.38 2ozb s MET 56 Ca -0.17 -1.83 -0.10 0.00 -1.71 0.00 0.00 55.69 51.87 2ozb s MET 56 Cb -0.18 -1.37 -0.05 0.00 2.01 0.00 0.00 34.83 35.25 2ozb s MET 56 CO 0.08 0.09 0.15 0.00 -0.01 0.00 0.00 175.02 175.33 2ozb s ALA 57 N -2.85 3.50 0.51 3.03 0.00 0.19 -0.69 121.76 125.45 2ozb s ALA 57 Ca 0.30 -0.98 0.42 0.00 0.00 0.00 0.00 51.96 51.70 2ozb s ALA 57 Cb 0.03 -2.31 2.13 0.00 0.00 0.00 0.00 23.12 22.98 2ozb s ALA 57 CO 0.14 -0.32 2.27 0.00 0.00 0.00 0.00 175.76 177.84 2ozb h ALA 58 N 7.83 1.01 -0.62 0.00 0.00 -0.18 -2.75 119.26 124.54 2ozb h ALA 58 Ca -0.37 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.42 2ozb h ALA 58 Cb 1.18 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.90 2ozb h ALA 58 CO 0.61 0.00 0.14 -0.40 0.00 0.00 0.00 179.25 179.61 2ozb n ASP 59 N -3.10 4.97 -4.69 0.00 5.75 -1.16 -4.66 116.55 113.66 2ozb n ASP 59 Ca -0.02 -3.13 -0.42 0.00 -0.01 0.00 0.00 54.79 51.21 2ozb n ASP 59 Cb 0.14 -0.70 -0.03 0.00 -1.03 0.00 0.00 41.12 39.50 2ozb n ASP 59 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2ozb s ALA 60 N -2.92 3.75 -0.16 2.12 0.00 -1.04 -4.93 121.76 118.58 2ozb s ALA 60 Ca 0.53 1.39 0.01 0.00 0.00 0.00 0.00 51.96 53.89 2ozb s ALA 60 Cb 0.42 -3.73 0.02 0.00 0.00 0.00 0.00 23.12 19.83 2ozb s ALA 60 CO 0.13 -1.15 -0.19 -1.21 0.00 0.00 0.00 175.76 173.34 2ozb s GLU 61 N 2.54 2.80 0.48 0.00 2.02 -1.26 -1.21 118.70 124.07 2ozb s GLU 61 Ca 0.78 -0.76 -0.19 0.00 0.02 0.00 0.00 54.97 54.83 2ozb s GLU 61 Cb -0.44 -2.41 -0.09 0.00 0.10 0.00 0.00 34.13 31.28 2ozb s GLU 61 CO 0.35 -0.19 0.98 -1.25 0.02 0.00 0.00 175.26 175.17 2ozb s PRO 62 N 1.27 4.02 0.61 0.39 0.04 -1.26 -5.03 135.00 135.04 2ozb s PRO 62 Ca 0.03 1.08 0.32 0.00 0.04 0.00 0.00 61.00 62.47 2ozb s PRO 62 Cb -0.13 -2.14 1.84 0.00 0.04 0.00 0.00 34.50 34.11 2ozb s PRO 62 CO -0.11 -0.22 2.16 1.25 0.04 0.00 0.00 177.00 180.13 2ozb h LEU 63 N 1.38 0.00 -0.64 -3.56 6.46 -1.53 -2.12 115.31 115.31 2ozb h LEU 63 Ca -0.48 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.28 2ozb h LEU 63 Cb 1.19 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.12 2ozb h LEU 63 CO 0.61 0.00 0.00 -1.84 -0.62 0.00 0.00 178.44 176.59 2ozb n GLU 64 N -3.56 0.18 0.00 1.25 0.00 -1.26 -2.25 120.64 115.00 2ozb n GLU 64 Ca -0.01 0.41 0.04 0.00 0.00 0.00 0.00 57.16 57.60 2ozb n GLU 64 Cb 0.24 -1.84 0.21 0.00 0.00 0.00 0.00 31.44 30.04 2ozb n GLU 64 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.13 177.57 2ozb n ILE 65 N -2.17 0.89 -0.65 3.84 -5.35 -0.80 -2.55 119.36 112.57 2ozb n ILE 65 Ca 0.02 0.22 0.00 0.00 -0.27 0.00 0.00 62.75 62.73 2ozb n ILE 65 Cb 0.23 -1.08 0.00 0.00 -1.74 0.00 0.00 39.64 37.04 2ozb n ILE 65 CO 0.00 0.00 0.00 2.30 -1.76 0.00 0.00 176.55 177.09 2ozb n ILE 66 N -1.31 0.01 0.71 7.28 -5.35 -0.95 -4.83 119.36 114.92 2ozb n ILE 66 Ca 0.04 -0.18 0.08 0.00 -0.27 0.00 0.00 62.75 62.41 2ozb n ILE 66 Cb 0.07 1.63 0.38 0.00 -1.74 0.00 0.00 39.64 39.98 2ozb n ILE 66 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 2ozb n LEU 67 N -0.01 0.00 0.14 7.28 4.77 -1.06 -1.34 117.00 126.79 2ozb n LEU 67 Ca 0.00 0.31 -0.00 0.00 -0.03 0.00 0.00 56.01 56.29 2ozb n LEU 67 Cb 0.17 -0.31 0.20 0.00 -2.33 0.00 0.00 43.42 41.15 2ozb n LEU 67 CO 0.00 -0.15 0.53 1.12 -1.33 0.00 0.00 177.39 177.56 2ozb h HIS 68 N 0.00 0.00 -0.27 -1.77 2.07 -1.88 -3.33 115.15 109.97 2ozb h HIS 68 Ca 0.00 0.00 0.03 0.00 -2.85 0.00 0.00 60.37 57.55 2ozb h HIS 68 Cb 0.16 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.11 2ozb h HIS 68 CO 0.00 0.58 0.06 -0.07 -3.07 0.00 0.00 177.93 175.44 2ozb h LEU 69 N 0.00 0.04 -0.84 6.12 3.38 -1.60 0.48 115.31 122.89 2ozb h LEU 69 Ca -0.01 0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.04 2ozb h LEU 69 Cb 1.05 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.80 2ozb h LEU 69 CO 0.08 0.06 0.54 -0.65 0.09 0.00 0.00 178.44 178.55 2ozb h PRO 70 N 0.17 1.02 -0.56 1.13 0.11 -1.74 0.19 132.00 132.32 2ozb h PRO 70 Ca 0.12 -0.06 0.03 0.00 0.11 0.00 0.00 66.00 66.20 2ozb h PRO 70 Cb 0.11 -0.23 -0.04 0.00 0.11 0.00 0.00 31.00 30.96 2ozb h PRO 70 CO -0.15 0.67 0.33 -0.07 -0.21 0.00 0.00 178.00 178.57 2ozb h LEU 71 N 1.05 0.53 -0.33 2.35 3.38 -1.59 0.56 115.31 121.26 2ozb h LEU 71 Ca 0.34 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.29 2ozb h LEU 71 Cb 0.02 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2ozb h LEU 71 CO -0.12 0.37 0.12 -0.07 0.09 0.00 0.00 178.44 178.83 2ozb h LEU 72 N 0.66 0.46 -1.15 1.67 3.38 -0.08 -2.49 115.31 117.76 2ozb h LEU 72 Ca 0.23 -0.18 0.08 0.00 0.09 0.00 0.00 57.88 58.09 2ozb h LEU 72 Cb 0.03 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.60 2ozb h LEU 72 CO -0.10 0.52 0.59 0.00 0.09 0.00 0.00 178.44 179.54 2ozb h GLU 74 N 0.99 0.74 -0.81 0.00 4.39 -0.59 -0.32 114.58 118.97 2ozb h GLU 74 Ca 0.40 -0.17 0.17 0.00 0.34 0.00 0.00 59.36 60.10 2ozb h GLU 74 Cb 0.28 -0.10 -0.11 0.00 -0.10 0.00 0.00 28.75 28.72 2ozb h GLU 74 CO -0.16 0.72 0.32 -0.44 -1.16 0.00 0.00 179.01 178.29 2ozb h ASP 75 N 0.63 0.26 -0.40 1.42 3.32 -0.97 -2.99 116.42 117.68 2ozb h ASP 75 Ca 0.15 0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.33 2ozb h ASP 75 Cb 0.31 0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.98 2ozb h ASP 75 CO -0.00 0.04 0.00 0.29 -1.72 0.00 0.00 179.24 177.85 2ozb n LYS 76 N -5.04 2.41 -3.80 3.56 4.76 -0.87 -4.96 118.16 114.21 2ozb n LYS 76 Ca 0.17 -2.19 -0.31 0.00 -2.87 0.00 0.00 58.31 53.11 2ozb n LYS 76 Cb 0.51 -1.44 0.02 0.00 -1.84 0.00 0.00 35.03 32.28 2ozb n LYS 76 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2ozb n ASN 77 N 1.23 -3.67 -4.14 4.39 5.15 -0.48 -5.00 115.26 112.74 2ozb n ASN 77 Ca 0.17 -1.04 -0.30 0.00 -0.60 0.00 0.00 54.58 52.81 2ozb n ASN 77 Cb 0.54 -3.13 -0.17 0.00 -0.53 0.00 0.00 39.78 36.49 2ozb n ASN 77 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2ozb s VAL 78 N -3.62 1.79 0.32 3.44 1.01 -0.25 -5.05 120.40 118.04 2ozb s VAL 78 Ca 0.33 -0.84 -0.29 0.00 0.00 0.00 0.00 61.98 61.18 2ozb s VAL 78 Cb -0.13 -1.58 -0.10 0.00 0.00 0.00 0.00 36.38 34.57 2ozb s VAL 78 CO 0.88 0.50 1.33 -2.84 0.00 0.00 0.00 175.10 174.96 2ozb s PRO 79 N 0.64 4.34 0.01 2.72 0.02 -1.26 -4.59 135.00 136.88 2ozb s PRO 79 Ca -0.13 2.23 -0.00 0.00 0.02 0.00 0.00 61.00 63.12 2ozb s PRO 79 Cb -0.16 -3.07 -0.01 0.00 0.02 0.00 0.00 34.50 31.27 2ozb s PRO 79 CO 0.03 -0.22 -0.02 1.52 -0.33 0.00 0.00 177.00 177.98 2ozb s TYR 80 N -1.00 0.19 0.10 6.54 1.13 -1.26 -1.30 117.35 121.75 2ozb s TYR 80 Ca 0.50 -0.39 -0.06 0.00 -1.41 0.00 0.00 57.07 55.71 2ozb s TYR 80 Cb -0.40 -0.14 -0.02 0.00 -1.10 0.00 0.00 41.96 40.30 2ozb s TYR 80 CO 0.52 -0.15 0.14 0.14 -2.51 0.00 0.00 175.55 173.69 2ozb s VAL 81 N -1.12 0.14 -0.02 -3.49 -7.23 -0.51 -4.63 120.40 103.56 2ozb s VAL 81 Ca -0.12 -1.43 0.01 0.00 -1.81 0.00 0.00 61.98 58.63 2ozb s VAL 81 Cb -0.08 -1.53 -0.04 0.00 0.56 0.00 0.00 36.38 35.29 2ozb s VAL 81 CO -0.01 -0.65 -0.01 -0.36 -0.31 0.00 0.00 175.10 173.77 2ozb s PHE 82 N -3.91 3.07 0.27 2.82 0.08 -0.06 -0.78 117.98 119.48 2ozb s PHE 82 Ca 0.09 0.09 0.11 0.00 0.12 0.00 0.00 56.93 57.34 2ozb s PHE 82 Cb 0.06 -1.69 -0.05 0.00 -0.57 0.00 0.00 43.02 40.77 2ozb s PHE 82 CO -0.08 0.45 -0.11 0.14 -0.10 0.00 0.00 175.22 175.53 2ozb s VAL 83 N -1.04 2.93 0.21 -0.44 -7.23 0.13 -1.75 120.40 113.21 2ozb s VAL 83 Ca 0.18 -2.18 -0.06 0.00 -1.81 0.00 0.00 61.98 58.12 2ozb s VAL 83 Cb -0.11 -2.55 0.06 0.00 0.56 0.00 0.00 36.38 34.33 2ozb s VAL 83 CO 0.09 -0.39 1.65 0.03 -0.31 0.00 0.00 175.10 176.17 2ozb h ARG 84 N 2.09 0.89 -4.79 4.82 3.08 -1.89 0.46 114.38 119.04 2ozb h ARG 84 Ca -0.42 -0.31 -0.64 0.00 0.07 0.00 0.00 59.98 58.68 2ozb h ARG 84 Cb 1.25 -0.07 -0.36 0.00 0.08 0.00 0.00 29.97 30.88 2ozb h ARG 84 CO 0.60 0.96 -0.83 0.45 -1.07 0.00 0.00 179.97 180.08 2ozb s SER 85 N -6.68 3.32 0.47 7.04 0.15 -1.26 -3.00 113.70 113.73 2ozb s SER 85 Ca -0.10 -0.80 0.22 0.00 0.70 0.00 0.00 55.95 55.96 2ozb s SER 85 Cb 0.13 -1.35 1.16 0.00 -1.71 0.00 0.00 66.02 64.25 2ozb s SER 85 CO 0.84 -0.09 1.97 0.07 1.20 0.00 0.00 173.24 177.24 2ozb h LYS 86 N 7.95 0.00 -0.18 5.44 2.10 -1.86 -1.74 116.57 128.27 2ozb h LYS 86 Ca -0.35 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.29 2ozb h LYS 86 Cb 1.11 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.43 2ozb h LYS 86 CO 0.54 0.20 0.05 0.37 -2.00 0.00 0.00 179.45 178.61 2ozb h GLN 87 N 0.00 0.28 -0.49 0.07 5.75 -1.93 -1.44 115.11 117.36 2ozb h GLN 87 Ca -0.00 -0.06 -0.04 0.00 -0.15 0.00 0.00 58.65 58.40 2ozb h GLN 87 Cb 0.46 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.95 2ozb h GLN 87 CO 0.03 0.40 0.15 0.00 -2.65 0.00 0.00 178.83 176.76 2ozb h ALA 88 N 0.87 0.64 -0.81 3.38 0.00 -1.78 -1.05 119.26 120.51 2ozb h ALA 88 Ca 0.06 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.80 2ozb h ALA 88 Cb 0.24 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 2ozb h ALA 88 CO -0.00 0.29 0.53 1.25 0.00 0.00 0.00 179.25 181.32 2ozb h LEU 89 N 0.66 0.90 -0.85 0.00 5.85 -1.31 0.29 115.31 120.84 2ozb h LEU 89 Ca 0.16 -0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.75 2ozb h LEU 89 Cb 0.27 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 2ozb h LEU 89 CO -0.01 0.64 -0.33 1.23 -0.34 0.00 0.00 178.44 179.63 2ozb h GLY 90 N 1.06 0.51 1.03 3.75 0.00 -1.16 0.22 103.07 108.47 2ozb h GLY 90 Ca 0.31 -0.45 -0.08 0.00 0.00 0.00 0.00 47.33 47.10 2ozb h GLY 90 CO -0.09 0.41 0.03 -0.09 0.00 0.00 0.00 176.54 176.81 2ozb h ARG 91 N 0.40 0.95 0.00 4.80 2.43 -0.29 -1.12 114.38 121.55 2ozb h ARG 91 Ca 0.05 -0.28 0.00 0.00 -0.81 0.00 0.00 59.98 58.93 2ozb h ARG 91 Cb 0.77 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.22 2ozb h ARG 91 CO 0.06 0.94 0.00 0.00 -1.51 0.00 0.00 179.97 179.46 2ozb h ALA 92 N 0.97 1.00 -0.25 2.80 0.00 0.12 -2.84 119.26 121.06 2ozb h ALA 92 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2ozb h ALA 92 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2ozb h ALA 92 CO 0.02 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.27 2ozb n GLY 94 N 0.93 -0.51 3.33 0.00 0.00 -1.07 -5.00 105.19 102.88 2ozb n GLY 94 Ca 0.10 0.05 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 2ozb n GLY 94 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ozb s VAL 95 N -3.05 2.03 -0.38 1.61 1.01 -0.48 -5.05 120.40 116.09 2ozb s VAL 95 Ca 0.12 -1.53 0.04 0.00 0.00 0.00 0.00 61.98 60.62 2ozb s VAL 95 Cb -0.06 -1.78 0.59 0.00 0.00 0.00 0.00 36.38 35.13 2ozb s VAL 95 CO 0.15 0.15 1.76 -1.54 0.00 0.00 0.00 175.10 175.62 2ozb n SER 96 N 1.33 3.81 -3.70 3.32 3.41 -1.26 -4.12 113.62 116.42 2ozb n SER 96 Ca -0.18 -3.30 -0.11 0.00 -0.26 0.00 0.00 58.87 55.02 2ozb n SER 96 Cb 0.53 -0.77 -0.06 0.00 -0.26 0.00 0.00 64.21 63.65 2ozb n SER 96 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2ozb s ARG 97 N -2.78 0.96 0.90 4.33 0.52 -1.26 -5.11 118.95 116.51 2ozb s ARG 97 Ca 0.48 -0.66 -0.11 0.00 -0.52 0.00 0.00 55.73 54.92 2ozb s ARG 97 Cb 0.40 0.42 0.11 0.00 0.52 0.00 0.00 34.95 36.40 2ozb s ARG 97 CO 0.10 -0.35 0.97 -2.30 0.02 0.00 0.00 175.30 173.74 2ozb n PRO 98 N 0.06 -0.30 -4.11 3.54 -0.02 -1.26 -4.45 135.00 128.45 2ozb n PRO 98 Ca -0.17 -0.02 -0.22 0.00 -2.02 0.00 0.00 63.50 61.07 2ozb n PRO 98 Cb 0.62 -2.25 -0.17 0.00 -0.02 0.00 0.00 33.50 31.68 2ozb n PRO 98 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2ozb s VAL 99 N -2.48 0.65 -0.78 -1.45 1.01 -0.61 -4.80 120.40 111.93 2ozb s VAL 99 Ca 0.66 -0.15 0.23 0.00 0.00 0.00 0.00 61.98 62.72 2ozb s VAL 99 Cb -0.24 -0.68 -0.09 0.00 0.00 0.00 0.00 36.38 35.37 2ozb s VAL 99 CO 0.59 0.27 1.14 2.30 0.00 0.00 0.00 175.10 179.40 2ozb n ILE 100 N 4.34 0.11 -3.63 2.22 -5.35 -1.26 -4.40 119.36 111.38 2ozb n ILE 100 Ca -0.20 -0.14 -0.11 0.00 -0.27 0.00 0.00 62.75 62.03 2ozb n ILE 100 Cb 0.51 0.31 -0.07 0.00 -1.74 0.00 0.00 39.64 38.65 2ozb n ILE 100 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2ozb s ALA 101 N -3.11 -1.88 0.21 -1.28 0.00 -1.26 0.54 121.76 114.97 2ozb s ALA 101 Ca 0.07 1.99 -0.08 0.00 0.00 0.00 0.00 51.96 53.93 2ozb s ALA 101 Cb 0.15 -1.32 -0.02 0.00 0.00 0.00 0.00 23.12 21.94 2ozb s ALA 101 CO 0.78 -0.30 0.31 0.00 0.00 0.00 0.00 175.76 176.55 2ozb s SER 103 N -3.04 0.88 -0.04 0.00 0.15 0.38 -1.71 113.70 110.32 2ozb s SER 103 Ca 0.25 0.06 -0.28 0.00 0.70 0.00 0.00 55.95 56.69 2ozb s SER 103 Cb 0.03 -0.13 -0.03 0.00 -1.71 0.00 0.00 66.02 64.18 2ozb s SER 103 CO 0.07 -0.22 0.89 -0.69 1.20 0.00 0.00 173.24 174.49 2ozb s VAL 104 N 1.87 4.92 0.05 4.45 1.01 -1.01 -0.56 120.40 131.14 2ozb s VAL 104 Ca 0.01 1.85 0.01 0.00 0.00 0.00 0.00 61.98 63.85 2ozb s VAL 104 Cb -0.12 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 31.99 2ozb s VAL 104 CO -0.03 0.17 0.14 0.42 0.00 0.00 0.00 175.10 175.79 2ozb s THR 105 N 1.09 4.96 0.09 3.92 -4.23 -0.25 0.20 115.64 121.43 2ozb s THR 105 Ca 0.47 -0.52 -0.31 0.00 -1.18 0.00 0.00 61.69 60.14 2ozb s THR 105 Cb -0.20 -3.38 -0.09 0.00 1.34 0.00 0.00 72.50 70.18 2ozb s THR 105 CO 0.23 0.18 1.60 -0.63 -0.54 0.00 0.00 174.62 175.46 2ozb s ILE 106 N -1.40 2.97 -0.11 2.99 1.01 -0.02 -4.72 121.20 121.92 2ozb s ILE 106 Ca 0.30 0.53 -0.03 0.00 0.00 0.00 0.00 60.65 61.45 2ozb s ILE 106 Cb -0.12 -3.34 0.04 0.00 0.01 0.00 0.00 42.46 39.05 2ozb s ILE 106 CO 0.23 0.01 0.06 -0.75 0.00 0.00 0.00 174.94 174.49 2ozb s LYS 107 N 2.14 0.19 0.06 2.79 2.20 -1.26 -5.00 119.74 120.85 2ozb s LYS 107 Ca 0.72 0.07 -0.32 0.00 -0.36 0.00 0.00 55.97 56.08 2ozb s LYS 107 Cb -0.40 -1.25 -0.11 0.00 -1.51 0.00 0.00 37.83 34.56 2ozb s LYS 107 CO 0.32 -0.48 1.85 -1.91 -0.36 0.00 0.00 175.35 174.77 2ozb n GLU 108 N 5.23 2.60 -0.94 4.03 2.13 -1.26 -1.92 120.64 130.52 2ozb n GLU 108 Ca -0.06 0.95 0.00 0.00 0.66 0.00 0.00 57.16 58.71 2ozb n GLU 108 Cb 0.49 -2.83 0.00 0.00 0.27 0.00 0.00 31.44 29.37 2ozb n GLU 108 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2ozb n GLY 109 N 4.25 0.62 3.64 8.31 0.00 -1.26 -4.99 105.19 115.76 2ozb n GLY 109 Ca 0.19 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.67 2ozb n GLY 109 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2ozb n SER 110 N 0.00 1.90 0.00 1.61 2.88 -0.81 -4.81 113.62 114.39 2ozb n SER 110 Ca 0.00 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.64 2ozb n SER 110 Cb 0.00 -1.16 0.00 0.00 -0.75 0.00 0.00 64.21 62.30 2ozb n SER 110 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2ozb n GLN 111 N 3.63 0.00 -0.05 -1.46 6.02 -1.26 -1.81 117.38 122.46 2ozb n GLN 111 Ca 0.22 0.28 0.08 0.00 -0.01 0.00 0.00 57.00 57.57 2ozb n GLN 111 Cb 0.16 -1.53 0.10 0.00 1.02 0.00 0.00 30.24 29.99 2ozb n GLN 111 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2ozb n LEU 112 N -1.26 2.54 -0.25 1.08 4.32 -1.26 -4.66 117.00 117.49 2ozb n LEU 112 Ca 0.00 -1.19 0.06 0.00 -0.02 0.00 0.00 56.01 54.86 2ozb n LEU 112 Cb 0.03 -0.06 0.17 0.00 -1.62 0.00 0.00 43.42 41.93 2ozb n LEU 112 CO 0.00 0.50 0.86 0.11 -1.22 0.00 0.00 177.39 177.63 2ozb h LYS 113 N 3.14 0.14 -0.53 3.23 1.79 -1.72 0.39 116.57 123.01 2ozb h LYS 113 Ca 0.00 -0.01 -0.10 0.00 -2.18 0.00 0.00 60.65 58.37 2ozb h LYS 113 Cb 0.71 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.30 2ozb h LYS 113 CO 0.00 0.09 -0.04 1.96 -1.08 0.00 0.00 179.45 180.38 2ozb h GLN 114 N 0.15 0.96 -0.12 3.15 4.20 -1.85 0.16 115.11 121.76 2ozb h GLN 114 Ca 0.42 -0.33 -0.19 0.00 0.06 0.00 0.00 58.65 58.62 2ozb h GLN 114 Cb 0.75 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.45 2ozb h GLN 114 CO -0.62 0.99 -0.69 1.96 -0.67 0.00 0.00 178.83 179.80 2ozb h GLN 115 N 0.83 0.52 -0.16 1.46 4.20 -1.68 -1.88 115.11 118.39 2ozb h GLN 115 Ca 0.14 -0.40 -0.03 0.00 0.06 0.00 0.00 58.65 58.43 2ozb h GLN 115 Cb 0.59 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.44 2ozb h GLN 115 CO 0.04 1.02 0.00 0.82 -0.67 0.00 0.00 178.83 180.04 2ozb h ILE 116 N 0.36 1.25 -1.00 2.54 2.04 -0.80 -0.84 117.51 121.06 2ozb h ILE 116 Ca -0.03 -0.83 0.08 0.00 1.00 0.00 0.00 64.86 65.08 2ozb h ILE 116 Cb 1.27 1.48 -0.07 0.00 -0.74 0.00 0.00 36.82 38.76 2ozb h ILE 116 CO 0.13 0.25 0.65 -0.61 0.00 0.00 0.00 178.15 178.56 2ozb h GLN 117 N 0.04 1.11 -0.45 2.37 4.15 -0.68 -0.33 115.11 121.32 2ozb h GLN 117 Ca 0.05 -0.07 -0.05 0.00 0.77 0.00 0.00 58.65 59.35 2ozb h GLN 117 Cb 0.37 -0.25 -0.02 0.00 0.21 0.00 0.00 27.48 27.79 2ozb h GLN 117 CO 0.01 0.73 0.09 1.03 -1.93 0.00 0.00 178.83 178.76 2ozb h SER 118 N 1.14 0.71 -0.39 -0.69 0.87 -0.95 -2.32 113.55 111.91 2ozb h SER 118 Ca 0.44 -0.25 -0.10 0.00 -1.23 0.00 0.00 61.79 60.65 2ozb h SER 118 Cb 0.23 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.98 2ozb h SER 118 CO -0.19 0.77 -0.13 0.40 -0.53 0.00 0.00 176.83 177.15 2ozb h ILE 119 N 0.61 1.26 -0.33 2.23 1.08 -0.48 -1.55 117.51 120.33 2ozb h ILE 119 Ca 0.14 -1.24 0.06 0.00 -0.39 0.00 0.00 64.86 63.43 2ozb h ILE 119 Cb 0.36 1.05 -0.06 0.00 -3.07 0.00 0.00 36.82 35.10 2ozb h ILE 119 CO 0.01 0.43 -0.02 1.56 -0.69 0.00 0.00 178.15 179.43 2ozb h GLN 120 N 0.77 0.07 -0.31 2.37 4.20 -0.89 0.17 115.11 121.48 2ozb h GLN 120 Ca 0.12 -0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.84 2ozb h GLN 120 Cb 0.65 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.39 2ozb h GLN 120 CO 0.05 0.05 0.18 1.96 -0.67 0.00 0.00 178.83 180.39 2ozb h GLN 121 N 0.07 0.36 -0.58 1.46 4.20 -1.12 0.21 115.11 119.71 2ozb h GLN 121 Ca 0.16 -0.02 0.11 0.00 0.06 0.00 0.00 58.65 58.96 2ozb h GLN 121 Cb 0.23 -0.08 -0.09 0.00 0.30 0.00 0.00 27.48 27.83 2ozb h GLN 121 CO -0.29 0.24 0.05 0.77 -0.67 0.00 0.00 178.83 178.94 2ozb h SER 122 N 0.37 -0.14 -0.15 1.46 0.02 -0.39 -1.76 113.55 112.95 2ozb h SER 122 Ca 0.12 0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 61.18 2ozb h SER 122 Cb -0.00 0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 2ozb h SER 122 CO -0.06 -0.05 0.04 0.40 -1.14 0.00 0.00 176.83 176.02 2ozb h ILE 123 N 0.17 1.20 -0.16 3.27 2.04 -0.18 -3.18 117.51 120.67 2ozb h ILE 123 Ca 0.30 -0.61 0.05 0.00 1.00 0.00 0.00 64.86 65.59 2ozb h ILE 123 Cb 0.47 1.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 2ozb h ILE 123 CO -0.45 0.19 0.14 -0.08 0.00 0.00 0.00 178.15 177.95 2ozb h GLU 124 N 0.05 0.00 -0.01 2.37 4.57 0.27 -0.73 114.58 121.10 2ozb h GLU 124 Ca 0.05 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 2ozb h GLU 124 Cb 0.25 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.84 2ozb h GLU 124 CO -0.00 0.00 -0.14 2.89 -1.18 0.00 0.00 179.01 180.58 2ozb n ARG 125 N -4.13 1.01 -0.03 1.92 1.85 -0.92 -2.85 116.66 113.50 2ozb n ARG 125 Ca 0.01 -0.51 -0.21 0.00 -1.00 0.00 0.00 57.85 56.14 2ozb n ARG 125 Cb 0.26 -1.49 -0.13 0.00 -1.05 0.00 0.00 32.46 30.05 2ozb n ARG 125 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2ozb n LEU 126 N -0.55 2.69 0.00 2.89 4.77 -0.31 -4.00 117.00 122.50 2ozb n LEU 126 Ca 0.15 0.13 0.04 0.00 -0.03 0.00 0.00 56.01 56.30 2ozb n LEU 126 Cb 0.32 -1.06 0.21 0.00 -2.33 0.00 0.00 43.42 40.55 2ozb n LEU 126 CO 0.23 0.86 0.44 0.18 -1.33 0.00 0.00 177.39 177.76 2ozb n LEU 127 N -3.47 0.00 0.00 2.23 4.77 -1.06 -4.99 117.00 114.48 2ozb n LEU 127 Ca -0.36 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.62 2ozb n LEU 127 Cb 1.02 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.11 2ozb n LEU 127 CO 0.38 0.00 0.00 0.52 -1.33 0.00 0.00 177.39 176.96